Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec60d6af488369fb6a8a670d5b7ffc98",
"space_group_name": "P 65",
"unit_cell": {
"a": 149.907,
"b": 149.907,
"c": 52.839,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.148,2.30],
"number_observations_unique": 30402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 49459,
"number_observations_unique": 4382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.986
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations": 47181,
"number_observations_unique": 4169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.750,2.570],
"number_observations": 44326,
"number_observations_unique": 3916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.970,2.750],
"number_observations": 41526,
"number_observations_unique": 3668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.250,2.970],
"number_observations": 38261,
"number_observations_unique": 3407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [3.640,3.250],
"number_observations": 33546,
"number_observations_unique": 3042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [4.200,3.640],
"number_observations": 29562,
"number_observations_unique": 2721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [5.140,4.200],
"number_observations": 24904,
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [7.270,5.140],
"number_observations": 19358,
"number_observations_unique": 1809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [49.069,7.270],
"number_observations": 9324,
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 9.500
}
]
}
]
}